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LC-MS/MS Annotation

LC-MS/MS annotation supports unknown compound review, fragmentation matching, and related-family grouping.

Outline

Section titled “Outline”
  • Upload mzML, mzXML, Waters RAW, or Bruker .d data.
  • Review precursor, fragment, and retention-time evidence.
  • Compare proposed structures against fragmentation support.
  • Group related compounds into LC-MS families.
  • Export reviewed evidence into Regulatory Hub.

Link to Core Concepts when explaining confidence scores and audit trails.

MolTrace Platform Documentation

Spectroscopy, compliance, optimization, backend contracts, and release operations.